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2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione
TL;DR: 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione (CAS 692272-58-5) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: BAS 05285121, 2-ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione, N-Ethyl-3-nitro-1,8-naphthalenedicarbimide, J2.066.838E, 2-Ethyl-5-nitro-benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C14H10N2O4 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.3639 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.06406 |
| Heavy Atoms | 20 |
| Complexity | 782.0827 |
Chemical Identifiers
| CAS Number | 692272-58-5 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-] |
Product Overview
2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione (CAS 692272-58-5), with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol. IUPAC: 2-ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione
Property Insights of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione
The XLogP value of 2.3639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione?
The CAS number of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione is 692272-58-5.
What is the molecular formula of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione is C14H10N2O4.
What is the molecular weight of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione is 270.06 g/mol.
Where can I buy 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-5-nitrobenzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.